CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4OC45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C
Name: 5,6-epoxycholesterol
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4OC45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C27H46O2
Molecular weight
402.66
Exact mass
402.3498
XLogP
6.6
TPSA
32.76
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
10
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
118.57

Supplementary Information

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